(2R)-4-(5-tert-butyl-2-methyl-phenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(5-tert-butyl-2-methyl-phenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(5-tert-butyl-2-methyl-phenyl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[(5-tert-butyl-2-methylphenyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(5-tert-butyl-2-methylphenyl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(5-tert-butyl-2-methyl-phenyl)thio]-3-keto-butyronitrile Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H22N2OS/c1-11-6-7-13(17(3,4)5)8-16(11)21-10-15(20)14(9-18)12(2)19/h6-8,14,19H,10H2,1-5H3/t14-/m0/s1